SCHEMBL804176

SCHEMBL804176

CC(C)(C)OC(=O)N[C@@H](CCN(CCN)C[C@H]1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)O[C@@H]21)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.50
KMT2A Q03164 3/20 0.50
RBBP5 Q15291 3/20 0.50
DPY30 Q9C005 3/20 0.50
ASH2L Q9UBL3 3/20 0.50
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NNMT P40261 4/20 0.47
PRMT1 Q99873 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TRDMT1 O14717 2/20 0.45
GNMT Q14749 1/20 0.45
EZH2 Q15910 3/20 0.45
SMYD3 Q9H7B4 1/20 0.45
SETD2 Q9BYW2 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18590706 1.00 WDR5 (0.50) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL18592643 1.00 WDR5 (0.50) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL14703563 0.95 SMYD3 (0.51) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL803938 0.95 SMYD3 (0.51) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL18592642 0.95 SMYD3 (0.51) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15386705 0.90 WDR5 (0.48) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL22821777 0.90 WDR5 (0.48) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL803942 0.89 EZH2 (0.48) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL14703564 0.89 EZH2 (0.48) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120640 0.86 TRDMT1 (0.44) WDR5KMT2ARBBP5DPY30ASH2L

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9333217-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 US disclosed
US-9334527-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 US disclosed
US-9175331-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2015-11-03 US disclosed
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2015-05-21 US disclosed
US-8895245-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-11-25 US disclosed
US-20140275081-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2014-09-18 US disclosed
US-8691507-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-04-08 US disclosed
US-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. 2013-11-14 US disclosed
US-20130040906-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2013-02-14 US disclosed
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. (US) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 WDR5 168/4885KMT2A 9/4885RBBP5 178/4885
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 WDR5 163/4885KMT2A 15/4885RBBP5 178/4885
US-20140275081-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF EZH2, DOT1L, PRDM7 WDR5 167/4885KMT2A 14/4885RBBP5 247/4885
US-20130040906-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 WDR5 167/4885KMT2A 14/4885RBBP5 247/4885
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 WDR5 167/4885KMT2A 14/4885RBBP5 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.